N-butyl-N-[[(dibutylamino)methyl-prop-1-enylsilyl]methyl]butan-1-amine

C21H46N2Si — CID 172736120

IUPACN-butyl-N-[[(dibutylamino)methyl-prop-1-enylsilyl]methyl]butan-1-amine
SMILESCC=C[SiH](CN(CCCC)CCCC)CN(CCCC)CCCC
InChIInChI=1S/C21H46N2Si/c1-6-11-15-22(16-12-7-2)20-24(19-10-5)21-23(17-13-8-3)18-14-9-4/h10,19,24H,6-9,11-18,20-21H2,1-5H3
InChIKeyILRGZIHBESYSRS-UHFFFAOYSA-N
MW354.70 g/mol
LogP5.21
Rot. Bonds17

About N-butyl-N-[[(dibutylamino)methyl-prop-1-enylsilyl]methyl]butan-1-amine

N-butyl-N-[[(dibutylamino)methyl-prop-1-enylsilyl]methyl]butan-1-amine (PubChem CID 172736120) has the molecular formula C21H46N2Si and a molecular weight of 354.70 g/mol. Its IUPAC name is N-butyl-N-[[(dibutylamino)methyl-prop-1-enylsilyl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[[(dibutylamino)methyl-prop-1-enylsilyl]methyl]butan-1-amine
PubChem CID172736120
Molecular FormulaC21H46N2Si
Molecular Weight354.70 g/mol
Exact Mass354.34
IUPAC NameN-butyl-N-[[(dibutylamino)methyl-prop-1-enylsilyl]methyl]butan-1-amine
SMILESCC=C[SiH](CN(CCCC)CCCC)CN(CCCC)CCCC
InChIInChI=1S/C21H46N2Si/c1-6-11-15-22(16-12-7-2)20-24(19-10-5)21-23(17-13-8-3)18-14-9-4/h10,19,24H,6-9,11-18,20-21H2,1-5H3
InChIKeyILRGZIHBESYSRS-UHFFFAOYSA-N
XLogP5.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.70
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-[[butyl(propyl)amino]-prop-1-enylsilyl]-N-propylbutan-1-amine
CID 157351468
N,N-dibutylbutan-1-amine;trihydrate
CID 173345147
N,N-dibutylbutan-1-amine;tetrahydrate
CID 172865997
N,N,N',N'-tetrabutylethane-1,2-diamine
CID 5224972
N,N-dibutylbutan-1-amine;hydrogen peroxide
CID 87070191
N,N-dibutylbutan-1-amine;molecular hydrogen
CID 174513596
bromomethane;N,N-dibutylbutan-1-amine
CID 87916924
tetrakis(N,N-diethylbutan-1-amine);ethane;methane
CID 157434901
N-butyl-N-dodecyldodecan-1-amine;ethane
CID 177188855
N-butyl-N-undecyldodecan-1-amine
CID 168880724
N,N-dibutylpentadecan-1-amine
CID 4175227
N,N-dipropylbutan-1-amine;hydrofluoride
CID 19783533

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[[(dibutylamino)methyl-prop-1-enylsilyl]methyl]butan-1-amine?
The IUPAC name of N-butyl-N-[[(dibutylamino)methyl-prop-1-enylsilyl]methyl]butan-1-amine (CID 172736120) is N-butyl-N-[[(dibutylamino)methyl-prop-1-enylsilyl]methyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[[(dibutylamino)methyl-prop-1-enylsilyl]methyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[[(dibutylamino)methyl-prop-1-enylsilyl]methyl]butan-1-amine is CC=C[SiH](CN(CCCC)CCCC)CN(CCCC)CCCC.
What is the InChIKey of N-butyl-N-[[(dibutylamino)methyl-prop-1-enylsilyl]methyl]butan-1-amine?
The InChIKey is ILRGZIHBESYSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46N2Si/c1-6-11-15-22(16-12-7-2)20-24(19-10-5)21-23(17-13-8-3)18-14-9-4/h10,19,24H,6-9,11-18,20-21H2,1-5H3.
What are the key properties of N-butyl-N-[[(dibutylamino)methyl-prop-1-enylsilyl]methyl]butan-1-amine?
N-butyl-N-[[(dibutylamino)methyl-prop-1-enylsilyl]methyl]butan-1-amine has a molecular weight of 354.70 g/mol, XLogP of 5.21, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[[(dibutylamino)methyl-prop-1-enylsilyl]methyl]butan-1-amine is sourced from PubChem (CID 172736120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).